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Home > Pyridines > 2060049-44-5
2060049-44-5 | 1-tert-butyl-1H-pyrazolo[3,4-b]pyridine-4,6-diol
CAS No: 2060049-44-5 Catalog No: AG01BWOK MDL No:MFCD30477275
Product Description
Catalog Number:
AG01BWOK
Chemical Name:
1-tert-butyl-1H-pyrazolo[3,4-b]pyridine-4,6-diol
CAS Number:
2060049-44-5
Molecular Formula:
C10H13N3O2
Molecular Weight:
207.2291
MDL Number:
MFCD30477275
IUPAC Name:
1-tert-butyl-4-hydroxy-7H-pyrazolo[3,4-b]pyridin-6-one
InChI:
InChI=1S/C10H13N3O2/c1-10(2,3)13-9-6(5-11-13)7(14)4-8(15)12-9/h4-5H,1-3H3,(H2,12,14,15)
InChI Key:
XMWYGDIESCYPQZ-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(n1)n(nc2)C(C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.233g/mol
Monoisotopic Mass:
207.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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